3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;ethyl 3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate

C28H20Cl2N6O4 — CID 158984732

IUPAC3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;ethyl 3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1ccn2ncc(-c3cccc(Cl)c3)c2n1.O=C(O)c1ccn2ncc(-c3cccc(Cl)c3)c2n1
InChIInChI=1S/C15H12ClN3O2.C13H8ClN3O2/c1-2-21-15(20)13-6-7-19-14(18-13)12(9-17-19)10-4-3-5-11(16)8-10;14-9-3-1-2-8(6-9)10-7-15-17-5-4-11(13(18)19)16-12(10)17/h3-9H,2H2,1H3;1-7H,(H,18,19)
InChIKeyJPKXTPAUMFTXPT-UHFFFAOYSA-N
MW575.41 g/mol
LogP5.97
Rot. Bonds5

About 3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;ethyl 3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate

3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;ethyl 3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate (PubChem CID 158984732) has the molecular formula C28H20Cl2N6O4 and a molecular weight of 575.41 g/mol. Its IUPAC name is 3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;ethyl 3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Name3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;ethyl 3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate
PubChem CID158984732
Molecular FormulaC28H20Cl2N6O4
Molecular Weight575.41 g/mol
Exact Mass574.09
IUPAC Name3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;ethyl 3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1ccn2ncc(-c3cccc(Cl)c3)c2n1.O=C(O)c1ccn2ncc(-c3cccc(Cl)c3)c2n1
InChIInChI=1S/C15H12ClN3O2.C13H8ClN3O2/c1-2-21-15(20)13-6-7-19-14(18-13)12(9-17-19)10-4-3-5-11(16)8-10;14-9-3-1-2-8(6-9)10-7-15-17-5-4-11(13(18)19)16-12(10)17/h3-9H,2H2,1H3;1-7H,(H,18,19)
InChIKeyJPKXTPAUMFTXPT-UHFFFAOYSA-N
XLogP5.97
TPSA123.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.41
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;ethyl 3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-Chlorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600116
6-(4-Chlorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600117
6-(2-Chlorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600115
Ethyl 6-[(3,4-dichlorobenzoyl)amino]-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-4-carboxylate
CID 118732300
3-Methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742967
6-[2-(2-Chlorophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600807
1-(5-Chloro-2-pyridinyl)-6-ethyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 155532074
Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid,7-(4-chlorophenyl)-6-phenyl-
CID 15957917
5-(4-Chlorophenyl)-6-phenyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 15957967
3-Chloro-6-[2-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 56721648
(1-Benzyl-5-chloro-3-methylpyrazol-4-yl)methyl 2-methylpyrimidine-4-carboxylate
CID 71887778
Ethyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate
CID 20729814

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;ethyl 3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate?
The IUPAC name of 3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;ethyl 3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate (CID 158984732) is 3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;ethyl 3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate.
What is the SMILES notation for 3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;ethyl 3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate?
The canonical SMILES for 3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;ethyl 3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate is CCOC(=O)c1ccn2ncc(-c3cccc(Cl)c3)c2n1.O=C(O)c1ccn2ncc(-c3cccc(Cl)c3)c2n1.
What is the InChIKey of 3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;ethyl 3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate?
The InChIKey is JPKXTPAUMFTXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2.C13H8ClN3O2/c1-2-21-15(20)13-6-7-19-14(18-13)12(9-17-19)10-4-3-5-11(16)8-10;14-9-3-1-2-8(6-9)10-7-15-17-5-4-11(13(18)19)16-12(10)17/h3-9H,2H2,1H3;1-7H,(H,18,19).
What are the key properties of 3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;ethyl 3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate?
3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;ethyl 3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate has a molecular weight of 575.41 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;ethyl 3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 158984732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).